CID 54595521

3028154-80-2

Structural Information

Molecular Formula

C₁₀H₁₉F₃N₂O₂

SMILES

CC(C)(C)OC(=O)NC(CCCN)C(F)(F)F

InChI

InChI=1S/C10H19F3N2O2/c1-9(2,3)17-8(16)15-7(5-4-6-14)10(11,12)13/h7H,4-6,14H2,1-3H3,(H,15,16)

InChIKey

MEEAYJYWIZLZMP-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-amino-1,1,1-trifluoropentan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.13986 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.147136	157.5
[M+Na]+	279.129078	162.4
[M-H]-	255.132584	153.1
[M+NH4]+	274.173683	173.8
[M+K]+	295.103018	161.7
[M+H-H2O]+	239.137120	149.8
[M+HCOO]-	301.138061	173.9
[M+CH3COO]-	315.153711	199.4
[M+Na-2H]-	277.114526	159.2
[M]+	256.13931142	153.3
[M]-	256.14040858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.